3,3-difluoro-1-pentan-3-ylazetidine

C8H15F2N — CID 176702068

IUPAC3,3-difluoro-1-pentan-3-ylazetidine
SMILESCCC(CC)N1CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-3-7(4-2)11-5-8(9,10)6-11/h7H,3-6H2,1-2H3
InChIKeyJBGOPVVUDGVTAJ-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.13
Rot. Bonds3

About 3,3-difluoro-1-pentan-3-ylazetidine

3,3-difluoro-1-pentan-3-ylazetidine (PubChem CID 176702068) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3,3-difluoro-1-pentan-3-ylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-pentan-3-ylazetidine
PubChem CID176702068
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3,3-difluoro-1-pentan-3-ylazetidine
SMILESCCC(CC)N1CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-3-7(4-2)11-5-8(9,10)6-11/h7H,3-6H2,1-2H3
InChIKeyJBGOPVVUDGVTAJ-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102743066
2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 130621001
3,3-diethyl-1-pentan-3-ylpiperazine
CID 64925599
1-pentan-3-yl-4-propan-2-yl-1,4-diazepane
CID 168909794
6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane
CID 170384687
(2R)-2-chloro-1-(3,3-difluoroazetidin-1-yl)butan-1-one
CID 129493863
(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol
CID 101210621
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol
CID 107861571
1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
CID 171505820
1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556
4-pentan-3-ylmorpholine
CID 641553
3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 65064069

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-pentan-3-ylazetidine?
The IUPAC name of 3,3-difluoro-1-pentan-3-ylazetidine (CID 176702068) is 3,3-difluoro-1-pentan-3-ylazetidine.
What is the SMILES notation for 3,3-difluoro-1-pentan-3-ylazetidine?
The canonical SMILES for 3,3-difluoro-1-pentan-3-ylazetidine is CCC(CC)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-pentan-3-ylazetidine?
The InChIKey is JBGOPVVUDGVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-7(4-2)11-5-8(9,10)6-11/h7H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-pentan-3-ylazetidine?
3,3-difluoro-1-pentan-3-ylazetidine has a molecular weight of 163.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-pentan-3-ylazetidine is sourced from PubChem (CID 176702068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).